Chemical Properties of Butanamide, N,N-bis(2-ethylhexyl)-

InChI

InChI=1S/C20H41NO/c1-6-11-14-18(9-4)16-21(20(22)13-8-3)17-19(10-5)15-12-7-2/h18-19H,6-17H2,1-5H3

InChI Key

ZXHLGQVRYKTEHM-UHFFFAOYSA-N

Formula

C20H41NO

SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC

Molecular Weight¹

311.55

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8202		Relay (1.0) Calculated Property
ΔfH°gas	-597.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.13	kJ/mol	Joback Calculated Property
ΔvapH°	85.09	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	6.048		Crippen Calculated Property
McVol	304.210	ml/mol	McGowan Calculated Property
Pc	1067.27	kPa	Joback Calculated Property
Inp	[1959.00; 1959.00]
Inp	1959.00		NIST
Inp	1959.00		NIST
Tboil	594.93	K	Relay (1.0) Calculated Property
Tc	782.79	K	Relay (1.0) Calculated Property
Tfus	232.09	K	Relay (1.0) Calculated Property
Vc	1.120	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.56; 1079.27]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.19880e+01
Coefficient B			2.01160e+00
Coefficient C			-1.16450e-03
Coefficient D			2.54160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	445.56	J/mol×K	273.00	Calculated Property
Cp,gas	555.18	J/mol×K	353.78	Calculated Property
Cp,gas	653.12	J/mol×K	434.56	Calculated Property
Cp,gas	740.19	J/mol×K	515.33	Calculated Property
Cp,gas	817.18	J/mol×K	596.11	Calculated Property
Cp,gas	884.92	J/mol×K	676.89	Calculated Property
Cp,gas	944.19	J/mol×K	757.67	Calculated Property
Cp,gas	995.80	J/mol×K	838.44	Calculated Property
Cp,gas	1040.56	J/mol×K	919.22	Calculated Property
Cp,gas	1079.27	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Butanamide, N,N-bis(2-ethylhexyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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